1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine

C14H17F2NO — CID 116874854

IUPAC1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(C2(c3ccc(F)c(F)c3)COC2)CC1
InChIInChI=1S/C14H17F2NO/c1-17-7-13(4-5-13)14(8-18-9-14)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3
InChIKeyVOSHUFBNXXNFIM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.23
Rot. Bonds4

About 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine

1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116874854) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116874854
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(C2(c3ccc(F)c(F)c3)COC2)CC1
InChIInChI=1S/C14H17F2NO/c1-17-7-13(4-5-13)14(8-18-9-14)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3
InChIKeyVOSHUFBNXXNFIM-UHFFFAOYSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(5-bromo-2-fluorophenyl)oxetan-3-yl]cyclobutyl]-N-methylmethanamine
CID 116874974
2-[3-(3,4-difluorophenyl)oxetan-3-yl]-N-methylbutan-1-amine
CID 116875600
1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874893
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
CID 137319852
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244934
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870264
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
2-[3-(3,4-difluorophenyl)oxetan-3-yl]butanenitrile
CID 116875499
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-N-methylmethanamine
CID 116963646

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine (CID 116874854) is 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine is CNCC1(C2(c3ccc(F)c(F)c3)COC2)CC1.
What is the InChIKey of 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is VOSHUFBNXXNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-17-7-13(4-5-13)14(8-18-9-14)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3.
What are the key properties of 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 253.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).